[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol

C18H17N5O3 — CID 68556493

IUPAC[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1
InChIInChI=1S/C18H17N5O3/c24-9-15-19-17(26-22-15)13-5-6-16(21-20-13)23-8-7-18(10-23)11-25-14-4-2-1-3-12(14)18/h1-6,24H,7-11H2
InChIKeyBMEXGPOTTUHAQD-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.56
Rot. Bonds3

About [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 68556493) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID68556493
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1
InChIInChI=1S/C18H17N5O3/c24-9-15-19-17(26-22-15)13-5-6-16(21-20-13)23-8-7-18(10-23)11-25-14-4-2-1-3-12(14)18/h1-6,24H,7-11H2
InChIKeyBMEXGPOTTUHAQD-UHFFFAOYSA-N
XLogP1.56
TPSA97.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 68556493) is [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1.
What is the InChIKey of [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is BMEXGPOTTUHAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-9-15-19-17(26-22-15)13-5-6-16(21-20-13)23-8-7-18(10-23)11-25-14-4-2-1-3-12(14)18/h1-6,24H,7-11H2.
What are the key properties of [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 351.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 68556493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).